[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol

C10H12FNO2 — CID 130937445

IUPAC[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESN[C@@H]1c2cc(F)ccc2OC[C@@H]1CO
InChIInChI=1S/C10H12FNO2/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-3,6,10,13H,4-5,12H2/t6-,10-/m0/s1
InChIKeyBUIUOIZVKYOBNJ-WKEGUHRASA-N
MW197.21 g/mol
LogP0.83
Rot. Bonds1

About [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol

[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol (PubChem CID 130937445) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
PubChem CID130937445
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESN[C@@H]1c2cc(F)ccc2OC[C@@H]1CO
InChIInChI=1S/C10H12FNO2/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-3,6,10,13H,4-5,12H2/t6-,10-/m0/s1
InChIKeyBUIUOIZVKYOBNJ-WKEGUHRASA-N
XLogP0.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
[(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol
CID 146120728
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117201919
3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82186946
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906491
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
methyl 2-[6-fluoro-3-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-chromen-4-yl]propanoate
CID 155762833
4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188588
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
CID 102418336

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol (CID 130937445) is [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol is N[C@@H]1c2cc(F)ccc2OC[C@@H]1CO.
What is the InChIKey of [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol?
The InChIKey is BUIUOIZVKYOBNJ-WKEGUHRASA-N. The full InChI is InChI=1S/C10H12FNO2/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-3,6,10,13H,4-5,12H2/t6-,10-/m0/s1.
What are the key properties of [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol?
[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol has a molecular weight of 197.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol is sourced from PubChem (CID 130937445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).